[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate

C20H24F3N5O4 — CID 154616393

IUPAC[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate
SMILESCc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(CC(F)(F)F)CC4)C3)[nH]n2)on1
InChIInChI=1S/C20H24F3N5O4/c1-11-6-14(32-28-11)8-17(29)24-16-9-15(26-27-16)12-2-3-13(7-12)31-18(30)25-19(4-5-19)10-20(21,22)23/h6,9,12-13H,2-5,7-8,10H2,1H3,(H,25,30)(H2,24,26,27,29)/t12-,13+/m0/s1
InChIKeyKZBABBQPMSZZGG-QWHCGFSZSA-N
MW455.44 g/mol
LogP3.73
Rot. Bonds7

About [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate

[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate (PubChem CID 154616393) has the molecular formula C20H24F3N5O4 and a molecular weight of 455.44 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate
PubChem CID154616393
Molecular FormulaC20H24F3N5O4
Molecular Weight455.44 g/mol
Exact Mass455.18
IUPAC Name[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate
SMILESCc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(CC(F)(F)F)CC4)C3)[nH]n2)on1
InChIInChI=1S/C20H24F3N5O4/c1-11-6-14(32-28-11)8-17(29)24-16-9-15(26-27-16)12-2-3-13(7-12)31-18(30)25-19(4-5-19)10-20(21,22)23/h6,9,12-13H,2-5,7-8,10H2,1H3,(H,25,30)(H2,24,26,27,29)/t12-,13+/m0/s1
InChIKeyKZBABBQPMSZZGG-QWHCGFSZSA-N
XLogP3.73
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate?
The IUPAC name of [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate (CID 154616393) is [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate?
The canonical SMILES for [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate is Cc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC4(CC(F)(F)F)CC4)C3)[nH]n2)on1.
What is the InChIKey of [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate?
The InChIKey is KZBABBQPMSZZGG-QWHCGFSZSA-N. The full InChI is InChI=1S/C20H24F3N5O4/c1-11-6-14(32-28-11)8-17(29)24-16-9-15(26-27-16)12-2-3-13(7-12)31-18(30)25-19(4-5-19)10-20(21,22)23/h6,9,12-13H,2-5,7-8,10H2,1H3,(H,25,30)(H2,24,26,27,29)/t12-,13+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate?
[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate has a molecular weight of 455.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate is sourced from PubChem (CID 154616393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).